Receptor
PDB id Resolution Class Description Source Keywords
1ZM1 2.3 Å EC: 3.2.1.73 CRYSTAL STRUCTURES OF COMPLEX F. SUCCINOGENES 1,3-1,4-BETA- D-GLUCANASE AND BETA-1,3-1,4-CELLOTRIOSE FIBROBACTER SUCCINOGENES GLUCANASE/13-14-BETA-D-GLUCANASE BETA-13-14-CELLOTRIOSE(CLTR) ACTIVE CLEFT HYDROLASE
Ref.: CRYSTAL STRUCTURE OF TRUNCATED FIBROBACTER SUCCINOGENES 1,3-1,4-BETA-D-GLUCANASE IN COMPLEX WITH BETA-1,3-1,4-CELLOTRIOSE J.MOL.BIOL. V. 354 642 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BGC BGC BGC A:300;
B:300;
Valid;
Valid;
none;
none;
submit data
504.438 n/a O(C1O...
CA A:400;
B:1400;
Part of Protein;
Part of Protein;
none;
none;
submit data
40.078 Ca [Ca+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1ZM1 2.3 Å EC: 3.2.1.73 CRYSTAL STRUCTURES OF COMPLEX F. SUCCINOGENES 1,3-1,4-BETA- D-GLUCANASE AND BETA-1,3-1,4-CELLOTRIOSE FIBROBACTER SUCCINOGENES GLUCANASE/13-14-BETA-D-GLUCANASE BETA-13-14-CELLOTRIOSE(CLTR) ACTIVE CLEFT HYDROLASE
Ref.: CRYSTAL STRUCTURE OF TRUNCATED FIBROBACTER SUCCINOGENES 1,3-1,4-BETA-D-GLUCANASE IN COMPLEX WITH BETA-1,3-1,4-CELLOTRIOSE J.MOL.BIOL. V. 354 642 2005
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1ZM1 - BGC BGC BGC n/a n/a
2 3AXE - CBI C12 H22 O11 C([C@@H]1[....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1ZM1 - BGC BGC BGC n/a n/a
2 3AXE - CBI C12 H22 O11 C([C@@H]1[....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1ZM1 - BGC BGC BGC n/a n/a
2 3AXE - CBI C12 H22 O11 C([C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: BGC BGC BGC; Similar ligands found: 229
No: Ligand ECFP6 Tc MDL keys Tc
1 BGC BGC BGC 1 1
2 GLC BGC BGC BGC 1 1
3 GLC BGC BGC BGC BGC BGC BGC 1 1
4 BGC BGC BGC BGC BGC 1 1
5 BGC BGC BGC ASO BGC BGC ASO 1 1
6 BGC BGC BGC GLC BGC BGC 1 1
7 MAN GLC 0.888889 1
8 M3M 0.888889 1
9 LB2 0.888889 1
10 BGC BGC GLC 0.754717 1
11 P3M 0.754386 0.767442
12 BMA MAN MAN 0.709091 1
13 GLA GAL GAL 0.709091 1
14 GLA GAL BGC 0.709091 1
15 BGC BGC BGC BGC 0.689655 1
16 BGC BGC BGC BGC BGC BGC BGC BGC 0.689655 1
17 NAG GAL GAL NAG GAL 0.647059 0.6875
18 M13 0.641509 0.942857
19 MDM 0.641509 0.942857
20 GAL MBG 0.641509 0.942857
21 MAN MAN MAN GLC 0.622951 1
22 MAN BMA MAN MAN MAN 0.619048 1
23 M5S 0.619048 1
24 GAL GAL SO4 0.616667 0.702128
25 BMA BMA MAN 0.589286 0.970588
26 2M4 0.584906 1
27 BGC BGC 0.584906 1
28 MAN MAN 0.584906 1
29 GLC GLC GLC GLC 0.580645 1
30 CGC 0.576271 0.941176
31 MAN BMA NAG 0.575758 0.733333
32 GLA GAL NAG 0.575758 0.733333
33 NAG GAL GAL 0.575758 0.733333
34 GAL GLC 0.545455 1
35 BGC GAL 0.545455 1
36 GLA GLA 0.545455 1
37 BMA GAL 0.545455 1
38 GAL BGC 0.545455 1
39 CBK 0.545455 1
40 CBI 0.545455 1
41 BGC BMA 0.545455 1
42 MAB 0.545455 1
43 GLA GAL 0.545455 1
44 BMA BMA 0.545455 1
45 GLC GAL 0.545455 1
46 LBT 0.545455 1
47 LAT 0.545455 1
48 BGC GLC 0.545455 1
49 GLC BGC 0.545455 1
50 MAL 0.545455 1
51 N9S 0.545455 1
52 B2G 0.545455 1
53 MAL MAL 0.545455 0.970588
54 MAN BMA BMA BMA BMA 0.534483 1
55 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.534483 1
56 GAL GAL GAL 0.534483 1
57 GLC GAL GAL 0.534483 1
58 GLC GLC BGC 0.534483 1
59 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.534483 1
60 GLC GLC GLC GLC GLC 0.534483 1
61 GLA GAL GLC 0.534483 1
62 BMA BMA BMA 0.534483 1
63 BGC BGC BGC BGC BGC BGC 0.534483 1
64 CE6 0.534483 1
65 GLC BGC BGC BGC BGC 0.534483 1
66 MLR 0.534483 1
67 BMA MAN BMA 0.534483 1
68 GLC GLC GLC GLC GLC GLC GLC 0.534483 1
69 CEY 0.534483 1
70 GLC BGC BGC 0.534483 1
71 GLC GLC GLC GLC GLC GLC GLC GLC 0.534483 1
72 BGC GLC GLC 0.534483 1
73 B4G 0.534483 1
74 MT7 0.534483 1
75 MAN MAN BMA BMA BMA BMA 0.534483 1
76 BMA BMA BMA BMA BMA 0.534483 1
77 CEX 0.534483 1
78 BMA BMA BMA BMA BMA BMA 0.534483 1
79 BGC GLC GLC GLC GLC GLC GLC 0.534483 1
80 BGC GLC GLC GLC GLC 0.534483 1
81 MTT 0.534483 1
82 CE5 0.534483 1
83 CT3 0.534483 1
84 CE8 0.534483 1
85 CTR 0.534483 1
86 CTT 0.534483 1
87 BGC GLC GLC GLC 0.534483 1
88 DXI 0.534483 1
89 GLC BGC GLC 0.534483 1
90 MAN BMA BMA 0.534483 1
91 GLC GLC BGC GLC GLC GLC GLC 0.534483 1
92 GLC BGC BGC BGC BGC BGC 0.534483 1
93 BGC BGC BGC GLC 0.534483 1
94 MAN MAN MAN MAN 0.530303 1
95 MAN MAN BMA MAN 0.530303 1
96 MAN BMA BMA BMA BMA BMA 0.52459 0.970588
97 BMA BMA BMA BMA BMA BMA MAN 0.52459 0.970588
98 TRE 0.520833 1
99 GAL NAG GAL BGC 0.520548 0.733333
100 LAT NAG GAL 0.520548 0.733333
101 BGC GAL NAG GAL 0.520548 0.733333
102 BMA MAN 0.517241 0.914286
103 NAG GAL 0.515625 0.733333
104 NGA GAL 0.515625 0.733333
105 GAL NAG 0.515625 0.733333
106 GLA NAG GAL FUC 0.513158 0.717391
107 GAL NAG GAL FUC 0.513158 0.717391
108 GAL NGA GLA BGC GAL 0.513158 0.733333
109 GAL FUC 0.508475 0.941176
110 GLC GAL NAG GAL 0.506667 0.733333
111 NOY BGC 0.5 0.75
112 LAT GLA 0.5 1
113 GAL AAL GAL AAL GAL AAL 0.493333 0.891892
114 AAL GAL AAL GAL 0.493333 0.891892
115 NAG GAL GAL NAG 0.493333 0.6875
116 GAL NAG GAL NAG GAL NAG 0.493333 0.673469
117 AAL GAL AAL GLA 0.493333 0.891892
118 MAN MAN BMA 0.491803 1
119 MAN MMA MAN 0.484848 0.942857
120 FUC BGC GAL 0.484848 0.970588
121 GAL A2G 0.484375 0.733333
122 A2G GAL 0.484375 0.733333
123 GAL NGA 0.484375 0.733333
124 U63 0.483333 0.891892
125 NGA GLA GAL BGC 0.480519 0.733333
126 MAN MAN MAN BMA MAN 0.479452 1
127 GLA EGA 0.47541 0.942857
128 DR5 0.474576 0.942857
129 MMA MAN 0.474576 0.942857
130 GLA MBG 0.473684 0.942857
131 NAG GAL BGC 0.472973 0.733333
132 FUC BGC GAL NAG GAL 0.470588 0.717391
133 GLA GLA FUC 0.469697 0.970588
134 GAL GAL FUC 0.469697 0.970588
135 GLA GAL FUC 0.469697 0.970588
136 FUC GAL GLA 0.469697 0.970588
137 FUC GLA GLA 0.469697 0.970588
138 47N 0.46875 0.891892
139 AAL GAL 0.46875 0.891892
140 DOM 0.466667 0.942857
141 NAG NAG BMA MAN 0.463415 0.634615
142 NOJ GLC 0.460317 0.727273
143 GLC DMJ 0.460317 0.727273
144 GLA MAN RAM TYV GLA MAN RAM TYV 0.454545 0.868421
145 GLA MAN RAM ABE GLA MAN RAM ABE 0.454545 0.868421
146 MAN MAN MAN MAN MAN MAN MAN MAN 0.452381 0.846154
147 OPM MAN MAN 0.452055 0.804878
148 5QP 0.451613 0.885714
149 FUC BGC GAL NAG 0.451219 0.717391
150 T6P 0.45 0.767442
151 RZM 0.45 0.688889
152 GLC GLC GLC GLC GLC GLC 0.449275 1
153 IFM BGC 0.444444 0.744186
154 IFM BMA 0.444444 0.744186
155 MAN MNM 0.444444 0.75
156 BMA IFM 0.444444 0.744186
157 9MR 0.444444 0.744186
158 GLA MAN ABE 0.444444 0.916667
159 MAL EDO 0.444444 0.942857
160 BGC OXZ 0.444444 0.666667
161 MAN 7D1 0.442623 0.888889
162 G2F BGC BGC BGC BGC BGC 0.441176 0.868421
163 NLC 0.439394 0.733333
164 NDG GAL 0.439394 0.733333
165 GAL NDG 0.439394 0.733333
166 GAL MGC 0.439394 0.702128
167 WZ3 0.438356 0.916667
168 FMO 0.4375 0.868421
169 GAL NGA A2G 0.43662 0.673469
170 NAG GAL NAG 0.434211 0.6875
171 NAG BMA MAN MAN MAN MAN 0.433735 0.733333
172 BMA BMA GLA BMA BMA 0.430556 1
173 AAL GAL AAL GAL AAL GAL AAL GAL 0.430233 0.825
174 GLC GLC XYP 0.428571 1
175 FRU GAL 0.428571 0.842105
176 BMA FRU 0.428571 0.842105
177 GLA MAN RAM RAM ABE MAN GLA 0.425532 0.868421
178 BGC BGC ZZ1 0.425 0.767442
179 4MU MAN MAN 0.425 0.767442
180 BGC GLA GAL FUC 0.421053 0.970588
181 NAG BMA 0.42029 0.653061
182 1GN ACY GAL ACY 1GN BGC GAL BGC 0.418605 0.6875
183 ACY 1GN GAL 1GN BGC ACY GAL BGC 0.418605 0.6875
184 GLA GAL BGC 5VQ 0.41791 0.891892
185 GLA GAL NAG FUC GAL GLC 0.417582 0.717391
186 GLC GLC GLC BGC 0.416667 1
187 FUC GAL NAG GAL FUC 0.416667 0.702128
188 BGC BGC G2F SHG 0.415584 0.846154
189 NAG BMA MAN MAN MAN MAN MAN 0.4125 0.868421
190 KHO 0.409836 0.888889
191 MAN BMA 0.409836 1
192 BGC GLA 0.409836 1
193 BMA GLA 0.409836 1
194 GLA BGC 0.409836 1
195 GLA BMA 0.409836 1
196 GLA GLC 0.409836 1
197 MLB 0.409836 1
198 LAK 0.409836 1
199 GAL GAL 0.409836 1
200 MVP 0.409091 0.733333
201 ABL 0.409091 0.702128
202 FUC GAL NAG GAL BGC 0.409091 0.717391
203 SGA BGC 0.409091 0.702128
204 G2I 0.408451 0.767442
205 G3I 0.408451 0.767442
206 OXZ BGC BGC 0.408451 0.6875
207 WOO 0.408163 0.848485
208 BGC 0.408163 0.848485
209 GXL 0.408163 0.848485
210 GAL 0.408163 0.848485
211 GLC 0.408163 0.848485
212 ALL 0.408163 0.848485
213 MAN 0.408163 0.848485
214 GLA 0.408163 0.848485
215 BMA 0.408163 0.848485
216 GIV 0.408163 0.848485
217 GAL BGC BGC XYS 0.407895 0.942857
218 MAN DGO 0.40625 0.914286
219 GLA MMA ABE 0.405405 0.868421
220 GLC GLC BGC XYS BGC XYS 0.405063 0.942857
221 MAN MAN MAN BMA MAN MAN MAN 0.404762 0.942857
222 MAN MAN NAG MAN NAG 0.404494 0.6875
223 NAG MAN GAL MAN MAN NAG GAL 0.404494 0.6875
224 NAG NAG BMA MAN MAN 0.404494 0.6875
225 3MG 0.403846 0.857143
226 SOR GLC GLC 0.402778 0.970588
227 GLA GAL GLC NBU 0.4 0.846154
228 2M8 0.4 0.911765
229 ISX 0.4 0.761905
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1ZM1; Ligand: BGC BGC BGC; Similar sites found: 116
This union binding pocket(no: 1) in the query (biounit: 1zm1.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5ML3 DL3 0.01749 0.41069 None
2 4XCB HY0 0.009113 0.41197 1.65975
3 3WG3 A2G GAL NAG FUC 0.007159 0.41943 1.68539
4 1WW5 SGA BGC 0.001249 0.40309 1.875
5 4JE5 PLP 0.002498 0.4367 2.07469
6 5A3T MMK 0.01387 0.40878 2.07469
7 4JE5 PMP 0.0139 0.4011 2.07469
8 4L4J NAG NAG BMA MAN NAG 0.01771 0.40069 2.26244
9 1IF7 SBR 0.01913 0.4387 2.48963
10 3AGC RCC 0.003306 0.43394 2.48963
11 3RGA LSB 0.002104 0.42637 2.48963
12 1I7E IBS 0.006786 0.42464 2.48963
13 4QJP V1F 0.007965 0.41319 2.48963
14 4FFG LBS 0.0001845 0.49651 2.90456
15 4FFG 0U8 0.001261 0.45887 2.90456
16 4ZZW CBI 0.006188 0.43141 2.90456
17 4FHD EEM 0.005687 0.42839 2.90456
18 4NPL AKG 0.01523 0.4099 2.90456
19 1PNF NDG NAG 0.01552 0.40861 2.90456
20 5D3X 4IP 0.001179 0.47305 2.99401
21 3KFF ZBT 0.000686 0.47548 3.08642
22 3KFF XBT 0.000686 0.47548 3.08642
23 5J8O 6GZ 0.0065 0.40464 3.22581
24 5A65 TPP 0.008091 0.40439 3.22581
25 3Q8G PEE 0.003454 0.45897 3.3195
26 2WT2 GAL NAG GAL NAG GAL NAG 0.0047 0.42378 3.3195
27 2GWH PCI 0.01265 0.40307 3.3195
28 1MFI FHC 0.02346 0.40149 3.50877
29 1N5S ADL 0.004904 0.41007 3.57143
30 1I82 BGC BGC 0.008683 0.42271 3.7037
31 4D1J DGJ 0.01572 0.40432 3.73444
32 4D4U FUC NDG GAL FUC 0.01885 0.40029 3.73444
33 5H9P TD2 0.0004445 0.42703 3.79747
34 2I74 MAN MAN MAN MAN 0.006115 0.4292 4.2328
35 5E89 TD2 0.001448 0.43356 4.31655
36 2AGC DAO 0.007944 0.41722 4.32099
37 1DZK PRZ 0.007001 0.40321 4.4586
38 4HPP GLU 0.01301 0.41489 4.56432
39 3K4Z CBI 0.01338 0.40965 4.56432
40 4LED XXR 0.007301 0.40929 4.56432
41 2HKA C3S 0.001932 0.4148 4.61538
42 3T50 FMN 0.003415 0.40359 4.6875
43 5IXG OTP 0.0234 0.4118 4.73373
44 1SNN 5RP 0.008007 0.40835 4.84582
45 5BU3 4W9 0.008377 0.40732 4.8913
46 1OJJ GLC GAL 0.00001076 0.55739 4.97925
47 1OJK GLC BGC 0.00001074 0.49217 4.97925
48 2WA4 069 0.005994 0.41421 4.97925
49 5MBC FMN 0.004449 0.41195 4.97925
50 3UPY FOM 0.02117 0.40963 4.97925
51 4B7E OGA 0.02044 0.40343 4.97925
52 4CCW VKC 0.01971 0.40135 4.97925
53 3SAO DBH 0.006658 0.43525 5
54 3SAO NKN 0.008373 0.41163 5
55 3QRC SCR 0.0002405 0.46085 5.09554
56 5T7I LAT NAG GAL 0.004397 0.4366 5.16129
57 5H9Q TD2 0.00002529 0.40092 5.16129
58 1ULE GLA GAL NAG 0.01581 0.4054 5.33333
59 5FLJ QUE 0.01013 0.40356 5.37634
60 2OVW CBI 0.0000071 0.57509 5.39419
61 4WOE ADP 0.001732 0.45752 5.39419
62 5AIG VPR 0.01073 0.40649 5.6
63 5TVM PUT 0.01206 0.41391 5.80913
64 4Y24 TD2 0.001475 0.41878 5.84416
65 3ZXE PGZ 0.0005025 0.40601 6.01504
66 4ZU4 4TG 0.001787 0.43387 6.08108
67 5FPX GLY SER SER HIS HIS HIS HIS HIS 0.002746 0.41088 6.19469
68 3AI0 PNW 0.007089 0.40678 6.22407
69 4KYS VIB 0.01824 0.40379 6.22407
70 1QY1 PRZ 0.0005791 0.46004 6.32184
71 5OO5 UUA 0.006376 0.40501 6.45161
72 5MOB A8S 0.00484 0.423 6.46552
73 5DEY 59T 0.0195 0.41969 6.639
74 3OYW TDG 0.001459 0.45902 6.71642
75 1GZW GAL BGC 0.001083 0.45145 6.71642
76 1W6O LAT 0.001615 0.43941 6.71642
77 1A78 TDG 0.002977 0.43908 6.71642
78 1W6P NDG GAL 0.00281 0.40964 6.71642
79 1Y0G 8PP 0.01922 0.41346 6.80628
80 3JZ0 CLY 0.009588 0.41488 7.05394
81 4IMO PWZ 0.007413 0.42122 7.38636
82 2P7Q GG6 0.002087 0.40254 7.5188
83 5U98 1KX 0.03923 0.40839 7.88382
84 1FAO 4IP 0.01623 0.40635 7.93651
85 4XMF HSM 0.001462 0.44952 8.15217
86 2D6M LBT 0.0008324 0.44862 8.1761
87 4N7C AEF 0.005931 0.42475 8.52273
88 4J8T DOG 0.007801 0.40887 8.75912
89 1GT4 UNA 0.0003085 0.4633 8.80503
90 4K55 H6P 0.001295 0.45845 8.87097
91 5W10 CMP 0.006421 0.40891 9.23077
92 4U0W 16G 0.0007496 0.43793 9.54357
93 4M1U A2G MBG 0.0001756 0.50201 10
94 2YMZ LAT 0.0003722 0.46441 10
95 4MNS 2AX 0.01954 0.41733 10.0629
96 2BOS GLA GAL GLC 0.0007009 0.44564 10.2941
97 2BOS GLA GAL 0.0009381 0.43217 10.2941
98 1Y7P RIP 0.02002 0.40062 10.3139
99 5DG2 GAL GLC 0.0009289 0.43698 10.3704
100 5GLT BGC GAL NAG GAL 0.00004674 0.4109 10.3734
101 4ZSI GLP 0.001006 0.44056 10.5263
102 4NS0 PIO 0.0216 0.40322 10.5263
103 4WVW SLT 0.00007809 0.51697 11.1111
104 2YKL NLD 0.0046 0.41956 11.1111
105 1SLT NDG GAL 0.002325 0.44295 11.194
106 2ZHL NAG GAL GAL NAG 0.00512 0.41739 11.4865
107 3W9R A8S 0.004623 0.40061 12.6984
108 1GUI BGC BGC BGC BGC BGC BGC 0.006083 0.42785 13.5484
109 2PFY PCA 0.01711 0.40537 14.9378
110 1X0P FAD 0.005257 0.40403 16.0839
111 1URX AAL GAL AAL GLA 0.0003373 0.45468 16.1826
112 1C1L GAL BGC 0.002505 0.4431 19.708
113 1QKQ MAN 0.002572 0.43901 23.9437
114 4BPZ GLC BGC BGC 0.00002559 0.47503 24.4813
115 1I7A PHE 0.02274 0.40131 25.2252
116 3B00 16A 0.00003908 0.52267 30.2905
Pocket No.: 2; Query (leader) PDB : 1ZM1; Ligand: BGC BGC BGC; Similar sites found: 17
This union binding pocket(no: 2) in the query (biounit: 1zm1.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4YLZ LAT NAG GAL 0.0005791 0.40885 1.96078
2 2R2N PMP 0.01072 0.40243 2.07469
3 4Q0L V14 0.01128 0.40766 2.48963
4 3ILR SGN 0.007578 0.43695 3.3195
5 1GU3 BGC BGC BGC BGC BGC 0.01674 0.40567 4.02685
6 4B3J ADP 0.0296 0.41326 4.14938
7 4AMF ACP 0.02136 0.40226 4.56432
8 1NVM OXL 0.008316 0.42472 4.97925
9 4UCF GLA 0.01438 0.40039 4.97925
10 1H4H XYP XYS XYP 0.005759 0.40698 5.26316
11 4H6B 10Y 0.005732 0.4195 6.15385
12 1J3R 6PG 0.00366 0.40001 7.36842
13 2HZQ STR 0.01502 0.40879 7.47126
14 4ZSI 4R1 0.004726 0.41079 10.5263
15 3FW9 SLX 0.003059 0.40622 11.2033
16 2QL9 CIT 0.01644 0.40678 14.433
17 2WZ5 MET 0.03473 0.40015 15.0327
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